6-(4-tert-butylcyclohexyl)-7-(4-butylpiperazin-1-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine hydrochloride

Systemtic Name: 6-(4-tert-butylcyclohexyl)-7-(4-butylpiperazin-1-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine hydrochloride Openeye Name: 6-(4-tert-butylcyclohexyl)-7-(4-butylpiperazin-1-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine hydrochloride CAS Name: 6-(4-tert-butylcyclohexyl)-7-(4-butyl-1-piperazinyl)-4-methyl-2,3-dihydro-1,4-benzoxazine hydrochloride IUPAC Name: 6-(4-tert-butylcyclohexyl)-7-(4-butylpiperazin-1-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine hydrochloride Traditional Name: 6-(4-tert-butylcyclohexyl)-7-(4-butylpiperazino)-4-methyl-2,3-dihydro-1,4-benzoxazine hydrochloride Formula: C27H46ClN3O MolecularWeight: 464.12664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCN(CC1)C2=CC3=C(C=C2C4CCC(CC4)C(C)(C)C)N(CCO3)C.Cl

Isomeric SMILES

CCCCN1CCN(CC1)C2=CC3=C(C=C2C4CCC(CC4)C(C)(C)C)N(CCO3)C.Cl

InChI

InChI=1S/C27H45N3O.ClH/c1-6-7-12-29-13-15-30(16-14-29)24-20-26-25(28(5)17-18-31-26)19-23(24)21-8-10-22(11-9-21)27(2,3)4;/h19-22H,6-18H2,1-5H3;1H